Vitas-M small molecule compound
2-{[3-cyano-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Catalog ID
STK870598
SMILES CCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)c1cccs1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H27N3O3S2 MW 493.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O3S2/c1-4-32-17-9-7-16(8-10-17)28-22(31)15-34-25-18(14-27)23(21-6-5-11-33-21)24-19(29-25)12-26(2,3)13-20(24)30/h5-11,23,29H,4,12-13,15H2,1-3H3,(H,28,31)InChIKey
BAYQWVBKEYTVKO-UHFFFAOYSA-NSynonyms
663218-13-12((3cyano77dimethyl5oxo4(thiophen2yl)145678hexahydroquinolin2yl)sulfanyl)N(4ethoxyphenyl)acetamide
2((3cyano77dimethyl5oxo4(thiophen2yl)145678hexahydroquinolin2yl)thio)N(4ethoxyphenyl)acetamide
2((3cyano77dimethyl5oxo4thiophen2yl1468tetrahydroquinolin2yl)sulfanyl)N(4ethoxyphenyl)acetamide
663218131
CCOC1=CC=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=CS4)C#N
InChI=1SC26H27N3O3S2c1432179716(81017)2822(31)15342518(1427)23(2165113321)2419(2925)1226(23)1320(24)30h5112329H4121315H213H3(H2831)
MFCD03666234
ZINC000000729047
ZINC000004761252
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